气体NO/N_2系统等离子体反应NO还原机理研究

A STUDY ON THE NO REMOVAL MECHANISM THROUGH THE PLASMA REACTION OF NO/N_2 SYSTEM

首先建立了气体放电等离子体发射光谱测量系统,获得了NO/N2和纯N2气体放电的发射光谱,然后用自洽场分子轨道从头计算法得到了N2基态和激发态分子轨道模型。发现NO/N2气体放电等离子体脱除NO主要是通过包括反应速度非常怏的N+NO→N2+O以及e+N2(A3∑u+)→2N+e和e+N2→N2(A3 ∑u+)+e在内的一系列基元反应进行的,活性N原子是NO还原的基础。

By the establishment of gas discharge plasma emission spectrum measuring system, the gas discharge emission spectrum of NO/N2 and pure N2 is obtained respectively, and then the model of molecular orbit of N2 either in ground state or its excitated state is worked out by using method of molecular orbit Ab initio in Self-Consistent Field (SCF). It is found that NO/N2 gas discharge plasma remove NO is achieved mainly through a series of fast elementary reactions including N+NO→N2+O, e+N2(A3∑+) →2N+e and e+N2→N2(A3∑u+)+e, and that the active atom of N is the base for NO removal.